1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol

C15H23NO2 — CID 113386912

IUPAC1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
SMILESCc1cc([C@H](C)N)ccc1OCC1(O)CCCC1
InChIInChI=1S/C15H23NO2/c1-11-9-13(12(2)16)5-6-14(11)18-10-15(17)7-3-4-8-15/h5-6,9,12,17H,3-4,7-8,10,16H2,1-2H3/t12-/m0/s1
InChIKeyGLJPGYDETJVCOP-LBPRGKRZSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds4

About 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol

1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol (PubChem CID 113386912) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
PubChem CID113386912
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
SMILESCc1cc([C@H](C)N)ccc1OCC1(O)CCCC1
InChIInChI=1S/C15H23NO2/c1-11-9-13(12(2)16)5-6-14(11)18-10-15(17)7-3-4-8-15/h5-6,9,12,17H,3-4,7-8,10,16H2,1-2H3/t12-/m0/s1
InChIKeyGLJPGYDETJVCOP-LBPRGKRZSA-N
XLogP2.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
1-[[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]methyl]cyclohexan-1-ol
CID 65213345

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol (CID 113386912) is 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol is Cc1cc([C@H](C)N)ccc1OCC1(O)CCCC1.
What is the InChIKey of 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol?
The InChIKey is GLJPGYDETJVCOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-13(12(2)16)5-6-14(11)18-10-15(17)7-3-4-8-15/h5-6,9,12,17H,3-4,7-8,10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol?
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 113386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).